UCSF

ZINC35747750

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 Yes

Popular Name: (7S)-2-[[[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H- (7S)-2-[[[(2S)-2-hydroxy-3-prop-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 6.76 -55.49 3 6 1 80 376.502 7 ↓
Hi High (pH 8-9.5) 1.80 4.44 -15.91 2 6 0 78 375.494 7 ↓
Hi High (pH 8-9.5) 2.26 4.32 -50.89 2 6 0 83 375.494 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )